(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

C9H14N4O — CID 43582311

IUPAC(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)9(14)8-6-10-11-7-8/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyUKIZDCOYHDXNNF-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.20
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 43582311) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID43582311
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)9(14)8-6-10-11-7-8/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyUKIZDCOYHDXNNF-UHFFFAOYSA-N
XLogP-0.20
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.20
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
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 124508547
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 43582311) is (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is CN1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is UKIZDCOYHDXNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)9(14)8-6-10-11-7-8/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).