2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C19H31N5O2 — CID 56868941

IUPAC2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H31N5O2/c1-13(2)17-11-23(8-7-19(26)24(17)9-15-5-6-15)12-18(25)20-16-10-22(4)21-14(16)3/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,20,25)
InChIKeyBOGONPYCNKQGGI-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 56868941) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID56868941
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H31N5O2/c1-13(2)17-11-23(8-7-19(26)24(17)9-15-5-6-15)12-18(25)20-16-10-22(4)21-14(16)3/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,20,25)
InChIKeyBOGONPYCNKQGGI-UHFFFAOYSA-N
XLogP1.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 56868941) is 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)CN1CCC(=O)N(CC2CC2)C(C(C)C)C1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is BOGONPYCNKQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13(2)17-11-23(8-7-19(26)24(17)9-15-5-6-15)12-18(25)20-16-10-22(4)21-14(16)3/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,20,25).
What are the key properties of 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56868941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).