N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

C18H26N6O2 — CID 72918032

IUPACN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C18H26N6O2/c1-11(20-17(26)15-9-16(25)23-22-15)14-10-19-18(21-12(14)2)24(3)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,26)(H2,22,23,25)
InChIKeyXZUYFJKPCHRSSJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.06
Rot. Bonds5

About N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 72918032) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID72918032
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C18H26N6O2/c1-11(20-17(26)15-9-16(25)23-22-15)14-10-19-18(21-12(14)2)24(3)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,26)(H2,22,23,25)
InChIKeyXZUYFJKPCHRSSJ-UHFFFAOYSA-N
XLogP2.06
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 72918032) is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is XZUYFJKPCHRSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(20-17(26)15-9-16(25)23-22-15)14-10-19-18(21-12(14)2)24(3)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,20,26)(H2,22,23,25).
What are the key properties of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 72918032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).