[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

C14H24N4O2 — CID 72891925

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(CCO)CC2)c(C)n1
InChIInChI=1S/C14H24N4O2/c1-3-4-18-11-13(12(2)15-18)14(20)17-7-5-16(6-8-17)9-10-19/h11,19H,3-10H2,1-2H3
InChIKeyGAAWQJPVPREXRM-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.35
Rot. Bonds5

About [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 72891925) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID72891925
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCN(CCO)CC2)c(C)n1
InChIInChI=1S/C14H24N4O2/c1-3-4-18-11-13(12(2)15-18)14(20)17-7-5-16(6-8-17)9-10-19/h11,19H,3-10H2,1-2H3
InChIKeyGAAWQJPVPREXRM-UHFFFAOYSA-N
XLogP0.35
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 28064317
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 72144022
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
(1S*,2S*)-2-{4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}cyclohexanol
CID 72868463
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 72891925) is [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCN(CCO)CC2)c(C)n1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is GAAWQJPVPREXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-18-11-13(12(2)15-18)14(20)17-7-5-16(6-8-17)9-10-19/h11,19H,3-10H2,1-2H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 72891925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).