1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone

C9H14N4O — CID 43565572

IUPAC1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCNCC1
InChIInChI=1S/C9H14N4O/c14-9(8-6-11-12-7-8)13-4-1-2-10-3-5-13/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPZVJTXZCFHLHQC-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.15
Rot. Bonds1

About 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone

1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone (PubChem CID 43565572) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone
PubChem CID43565572
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCNCC1
InChIInChI=1S/C9H14N4O/c14-9(8-6-11-12-7-8)13-4-1-2-10-3-5-13/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPZVJTXZCFHLHQC-UHFFFAOYSA-N
XLogP-0.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
[(6S)-6-fluoro-6-methyl-1,4-diazepan-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 164631675
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
N-(fluoromethyl)-1H-pyrazole-4-carboxamide
CID 124107831
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone (CID 43565572) is 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is PZVJTXZCFHLHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(8-6-11-12-7-8)13-4-1-2-10-3-5-13/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone?
1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43565572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).