[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C14H15ClN4O3 — CID 4605259

IUPAC[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15ClN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeySCPCAQDSGFMRIT-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.26
Rot. Bonds2

About [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 4605259) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID4605259
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15ClN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeySCPCAQDSGFMRIT-UHFFFAOYSA-N
XLogP1.26
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-4-(2-furoyl)piperazine
CID 844713
[5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-yl]-(4-methyl-piperazin-1-yl)-methanone
CID 24792477
1-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(2-furoyl)piperazine
CID 1028370
4,5-dichloro-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 823288
4-chloro-N-(furan-2-ylmethyl)-2-methylpyrazole-3-carboxamide
CID 1220972
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-(2-furoyl)piperazine
CID 1001029
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19448384
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19468949
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
CID 46954432
N-(furan-2-ylmethyl)-N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53559202
Furan-2-yl-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53579559
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 53581675

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 4605259) is [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cn1ncc(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SCPCAQDSGFMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 322.75 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4605259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).