N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide

C15H27N5O — CID 75500158

IUPACN-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CCCN(C)CC2)c1C
InChIInChI=1S/C15H27N5O/c1-4-5-9-20-13(2)14(12-16-20)17-15(21)19-8-6-7-18(3)10-11-19/h12H,4-11H2,1-3H3,(H,17,21)
InChIKeyIINZQHAKBIYITJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.16
Rot. Bonds4

About N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide

N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 75500158) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID75500158
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CCCN(C)CC2)c1C
InChIInChI=1S/C15H27N5O/c1-4-5-9-20-13(2)14(12-16-20)17-15(21)19-8-6-7-18(3)10-11-19/h12H,4-11H2,1-3H3,(H,17,21)
InChIKeyIINZQHAKBIYITJ-UHFFFAOYSA-N
XLogP2.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide (CID 75500158) is N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide is CCCCn1ncc(NC(=O)N2CCCN(C)CC2)c1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is IINZQHAKBIYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-5-9-20-13(2)14(12-16-20)17-15(21)19-8-6-7-18(3)10-11-19/h12H,4-11H2,1-3H3,(H,17,21).
What are the key properties of N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide?
N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75500158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).