1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C16H26N4O2 — CID 131929366

IUPAC1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCN(CC2CC2)C(CCO)C1
InChIInChI=1S/C16H26N4O2/c21-8-5-15-12-20(7-6-19(15)11-13-1-2-13)16(22)4-3-14-9-17-18-10-14/h9-10,13,15,21H,1-8,11-12H2,(H,17,18)
InChIKeyLHYFNXDTJWFVEA-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.65
Rot. Bonds7

About 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 131929366) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID131929366
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCN(CC2CC2)C(CCO)C1
InChIInChI=1S/C16H26N4O2/c21-8-5-15-12-20(7-6-19(15)11-13-1-2-13)16(22)4-3-14-9-17-18-10-14/h9-10,13,15,21H,1-8,11-12H2,(H,17,18)
InChIKeyLHYFNXDTJWFVEA-UHFFFAOYSA-N
XLogP0.65
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 91783232
6-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 126453041
2-(2-chloro-4-fluorophenyl)-1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 91790650
1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875
1-(4-heptylpiperazin-1-yl)-3-(1H-pyrazol-4-yl)propan-1-one
CID 131933931
4-[3a-(hydroxymethyl)-5-[3-(1H-pyrazol-4-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-4-oxobutane-1-sulfonamide
CID 138381738
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 91768627
formic acid;1-[(1R,2S,8S,9S)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 166598317
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid
CID 95555728
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-fluorophenyl)phenyl]methanone
CID 118779614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 131929366) is 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is O=C(CCc1cn[nH]c1)N1CCN(CC2CC2)C(CCO)C1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is LHYFNXDTJWFVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-8-5-15-12-20(7-6-19(15)11-13-1-2-13)16(22)4-3-14-9-17-18-10-14/h9-10,13,15,21H,1-8,11-12H2,(H,17,18).
What are the key properties of 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 131929366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).