N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide

C20H30N6O — CID 97121182

IUPACN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)n[nH]1
InChIInChI=1S/C20H30N6O/c1-5-15-11-18(25-24-15)19(27)22-13(2)17-12-21-20(23-14(17)3)26(4)16-9-7-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,22,27)(H,24,25)/t13-/m0/s1
InChIKeyPBZCWXZDVNAHKD-ZDUSSCGKSA-N
MW370.50 g/mol
LogP3.33
Rot. Bonds6

About N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 97121182) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID97121182
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)n[nH]1
InChIInChI=1S/C20H30N6O/c1-5-15-11-18(25-24-15)19(27)22-13(2)17-12-21-20(23-14(17)3)26(4)16-9-7-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,22,27)(H,24,25)/t13-/m0/s1
InChIKeyPBZCWXZDVNAHKD-ZDUSSCGKSA-N
XLogP3.33
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 97121182) is N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)n[nH]1.
What is the InChIKey of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is PBZCWXZDVNAHKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H30N6O/c1-5-15-11-18(25-24-15)19(27)22-13(2)17-12-21-20(23-14(17)3)26(4)16-9-7-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,22,27)(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97121182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).