N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide

C19H30N4O3 — CID 69319534

IUPACN-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NC1CCCC1
InChIInChI=1S/C19H30N4O3/c1-2-16(24)10-4-3-5-11-17(19(26)22-15-8-6-7-9-15)23-18(25)14-12-20-21-13-14/h12-13,15,17H,2-11H2,1H3,(H,20,21)(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyPANYICQORKPGFV-KRWDZBQOSA-N
MW362.47 g/mol
LogP2.50
Rot. Bonds11

About N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide

N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 69319534) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID69319534
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NC1CCCC1
InChIInChI=1S/C19H30N4O3/c1-2-16(24)10-4-3-5-11-17(19(26)22-15-8-6-7-9-15)23-18(25)14-12-20-21-13-14/h12-13,15,17H,2-11H2,1H3,(H,20,21)(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyPANYICQORKPGFV-KRWDZBQOSA-N
XLogP2.50
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide (CID 69319534) is N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NC1CCCC1.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is PANYICQORKPGFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-16(24)10-4-3-5-11-17(19(26)22-15-8-6-7-9-15)23-18(25)14-12-20-21-13-14/h12-13,15,17H,2-11H2,1H3,(H,20,21)(H,22,26)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 69319534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).