4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide

C17H28N4O3 — CID 154752369

IUPAC4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCC(CCCO)CC1
InChIInChI=1S/C17H28N4O3/c22-9-1-3-14-5-7-20(8-6-14)17(23)19-15-11-18-21(12-15)13-16-4-2-10-24-16/h11-12,14,16,22H,1-10,13H2,(H,19,23)
InChIKeyXYEPOFWGEXTEER-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.08
Rot. Bonds6

About 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide

4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 154752369) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID154752369
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCC(CCCO)CC1
InChIInChI=1S/C17H28N4O3/c22-9-1-3-14-5-7-20(8-6-14)17(23)19-15-11-18-21(12-15)13-16-4-2-10-24-16/h11-12,14,16,22H,1-10,13H2,(H,19,23)
InChIKeyXYEPOFWGEXTEER-UHFFFAOYSA-N
XLogP2.08
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136517483
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 154752369) is 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)N1CCC(CCCO)CC1.
What is the InChIKey of 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is XYEPOFWGEXTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-9-1-3-14-5-7-20(8-6-14)17(23)19-15-11-18-21(12-15)13-16-4-2-10-24-16/h11-12,14,16,22H,1-10,13H2,(H,19,23).
What are the key properties of 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide?
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154752369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).