4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one

C19H30N4O2 — CID 56871974

IUPAC4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)n[nH]1
InChIInChI=1S/C19H30N4O2/c1-4-5-15-10-16(21-20-15)19(25)22-9-8-18(24)23(11-14-6-7-14)17(12-22)13(2)3/h10,13-14,17H,4-9,11-12H2,1-3H3,(H,20,21)
InChIKeyCURXYFGPTSLNAI-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.47
Rot. Bonds6

About 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one

4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 56871974) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one
PubChem CID56871974
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)n[nH]1
InChIInChI=1S/C19H30N4O2/c1-4-5-15-10-16(21-20-15)19(25)22-9-8-18(24)23(11-14-6-7-14)17(12-22)13(2)3/h10,13-14,17H,4-9,11-12H2,1-3H3,(H,20,21)
InChIKeyCURXYFGPTSLNAI-UHFFFAOYSA-N
XLogP2.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one 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 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one (CID 56871974) is 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one is CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)n[nH]1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is CURXYFGPTSLNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-5-15-10-16(21-20-15)19(25)22-9-8-18(24)23(11-14-6-7-14)17(12-22)13(2)3/h10,13-14,17H,4-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 346.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(5-propyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56871974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).