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

C10H16N4O — CID 43582017

IUPAC(4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)10(15)9-7-11-12-8-9/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeySBRIDFPREMPIJS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.19
Rot. Bonds1

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

(4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 43582017) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID43582017
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)10(15)9-7-11-12-8-9/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeySBRIDFPREMPIJS-UHFFFAOYSA-N
XLogP0.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
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-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
[(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
5-fluoro-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 67120909
N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 68744944
N-(trifluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 90898393
N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 118051982

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone (CID 43582017) is (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone is CN1CCCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is SBRIDFPREMPIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)10(15)9-7-11-12-8-9/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).