trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate

C19H24N5O4- — CID 135551450

IUPACtrans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1
InChIInChI=1S/C19H25N5O4/c1-3-6-12-10-16(25)22-19(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)18(27)28/h9-10,13-14H,3-8H2,1-2H3,(H,21,26)(H,27,28)(H,20,22,25)/p-1/t13-,14-/m1/s1
InChIKeyIYQOKCMZTQQCDD-ZIAGYGMSSA-M
MW386.43 g/mol
LogP0.71
Rot. Bonds6

About trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate

trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 135551450) has the molecular formula C19H24N5O4- and a molecular weight of 386.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID135551450
Molecular FormulaC19H24N5O4-
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nametrans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1
InChIInChI=1S/C19H25N5O4/c1-3-6-12-10-16(25)22-19(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)18(27)28/h9-10,13-14H,3-8H2,1-2H3,(H,21,26)(H,27,28)(H,20,22,25)/p-1/t13-,14-/m1/s1
InChIKeyIYQOKCMZTQQCDD-ZIAGYGMSSA-M
XLogP0.71
TPSA132.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1R,2R)-2-[[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135753010
(1R,6S)-6-[[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 135753170
2-cyclohexyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753190
ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 135753198
cis-(1S,2R)-2-[[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551948
(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]but-2-enamide
CID 135753195
(E)-4-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoic acid
CID 135551446
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopentanecarboxamide
CID 135879870
4-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753227
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
CID 136606395
4-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753233
4-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753214

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate (CID 135551450) is trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1.
What is the InChIKey of trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is IYQOKCMZTQQCDD-ZIAGYGMSSA-M. The full InChI is InChI=1S/C19H25N5O4/c1-3-6-12-10-16(25)22-19(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)18(27)28/h9-10,13-14H,3-8H2,1-2H3,(H,21,26)(H,27,28)(H,20,22,25)/p-1/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate?
trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 135551450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).