N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide

C19H30N4O2 — CID 164640779

IUPACN-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cnn1C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-13-16(12-21-23(13)15-9-5-6-10-15)19(25)22-17(11-18(20)24)14-7-3-2-4-8-14/h12,14-15,17H,2-11H2,1H3,(H2,20,24)(H,22,25)/t17-/m0/s1
InChIKeyHCVQKZAEXRZCFS-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.86
Rot. Bonds6

About N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide

N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide (PubChem CID 164640779) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide
PubChem CID164640779
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cnn1C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-13-16(12-21-23(13)15-9-5-6-10-15)19(25)22-17(11-18(20)24)14-7-3-2-4-8-14/h12,14-15,17H,2-11H2,1H3,(H2,20,24)(H,22,25)/t17-/m0/s1
InChIKeyHCVQKZAEXRZCFS-KRWDZBQOSA-N
XLogP2.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide (CID 164640779) is N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cnn1C1CCCC1.
What is the InChIKey of N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide?
The InChIKey is HCVQKZAEXRZCFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-16(12-21-23(13)15-9-5-6-10-15)19(25)22-17(11-18(20)24)14-7-3-2-4-8-14/h12,14-15,17H,2-11H2,1H3,(H2,20,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide?
N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-1-cyclopentyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 164640779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).