1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide

C24H28N6O3 — CID 122678183

IUPAC1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc(C)[nH]n3)cc2)c1C(N)=O
InChIInChI=1S/C24H28N6O3/c1-3-30-21(23(25)32)20(13-26-30)27-24(33)18-7-5-4-6-17(18)22(31)16-10-8-15(9-11-16)19-12-14(2)28-29-19/h8-13,17-18H,3-7H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)/t17-,18-/m1/s1
InChIKeyLTKXCXFALXANGC-QZTJIDSGSA-N
MW448.53 g/mol
LogP3.33
Rot. Bonds7

About 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide

1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide (PubChem CID 122678183) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
PubChem CID122678183
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc(C)[nH]n3)cc2)c1C(N)=O
InChIInChI=1S/C24H28N6O3/c1-3-30-21(23(25)32)20(13-26-30)27-24(33)18-7-5-4-6-17(18)22(31)16-10-8-15(9-11-16)19-12-14(2)28-29-19/h8-13,17-18H,3-7H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)/t17-,18-/m1/s1
InChIKeyLTKXCXFALXANGC-QZTJIDSGSA-N
XLogP3.33
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide (CID 122678183) is 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc(C)[nH]n3)cc2)c1C(N)=O.
What is the InChIKey of 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
The InChIKey is LTKXCXFALXANGC-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-3-30-21(23(25)32)20(13-26-30)27-24(33)18-7-5-4-6-17(18)22(31)16-10-8-15(9-11-16)19-12-14(2)28-29-19/h8-13,17-18H,3-7H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)/t17-,18-/m1/s1.
What are the key properties of 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide?
1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 122678183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).