4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

C20H32N4O2 — CID 56862259

IUPAC4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCCn1nc(C)c(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)c1C
InChIInChI=1S/C20H32N4O2/c1-6-24-15(5)19(14(4)21-24)20(26)22-10-9-18(25)23(11-16-7-8-16)17(12-22)13(2)3/h13,16-17H,6-12H2,1-5H3
InChIKeyOCZPAJKQYHEFTL-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.63
Rot. Bonds5

About 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56862259) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56862259
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCCn1nc(C)c(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)c1C
InChIInChI=1S/C20H32N4O2/c1-6-24-15(5)19(14(4)21-24)20(26)22-10-9-18(25)23(11-16-7-8-16)17(12-22)13(2)3/h13,16-17H,6-12H2,1-5H3
InChIKeyOCZPAJKQYHEFTL-UHFFFAOYSA-N
XLogP2.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (CID 56862259) is 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is CCn1nc(C)c(C(=O)N2CCC(=O)N(CC3CC3)C(C(C)C)C2)c1C.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is OCZPAJKQYHEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-6-24-15(5)19(14(4)21-24)20(26)22-10-9-18(25)23(11-16-7-8-16)17(12-22)13(2)3/h13,16-17H,6-12H2,1-5H3.
What are the key properties of 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 360.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56862259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).