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

C19H28N4O2 — CID 56873805

IUPAC4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O2/c1-12(2)17-11-22(8-7-18(24)23(17)10-13-3-4-13)19(25)16-9-15(20-21-16)14-5-6-14/h9,12-14,17H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeyDKTFEWBMECILCP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.40
Rot. Bonds5

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

4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56873805) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56873805
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O2/c1-12(2)17-11-22(8-7-18(24)23(17)10-13-3-4-13)19(25)16-9-15(20-21-16)14-5-6-14/h9,12-14,17H,3-8,10-11H2,1-2H3,(H,20,21)
InChIKeyDKTFEWBMECILCP-UHFFFAOYSA-N
XLogP2.40
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599
US10022354, Example 230
CID 121279605
US10022354, Example 222
CID 121279620
US10022354, Example 194
CID 121279630

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (CID 56873805) is 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is CC(C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is DKTFEWBMECILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)17-11-22(8-7-18(24)23(17)10-13-3-4-13)19(25)16-9-15(20-21-16)14-5-6-14/h9,12-14,17H,3-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 344.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56873805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).