3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

C19H26N6O — CID 45206678

IUPAC3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2
InChIKeyDWKJKQAPDGYCOQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.83
Rot. Bonds5

About 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 45206678) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID45206678
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2
InChIKeyDWKJKQAPDGYCOQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(4-{1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45250907
2-(4-{1-[3-(1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45251166
1-(3-Pyrazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53551193
1-[(2S,3aR,7aS)-5-pyrimidin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97386843
1-[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97402597
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-3-(1H-pyrazol-1-yl)propanamide
CID 91911101
1-[4-(Hydroxymethyl)-2-(pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-8-YL]-3-(4-methyl-1H-pyrazol-1-YL)propan-1-one
CID 91922278
Cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874054
2-{4-[1-(4,4,4-Trifluorobutanoyl)-3-pyrrolidinyl]-1-piperidinyl}pyrimidine
CID 45224737
2-{4-[1-(3,3,3-Trifluoropropanoyl)-3-pyrrolidinyl]-1-piperidinyl}pyrimidine
CID 45227957
1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one
CID 99766134
4-(1H-imidazol-1-ylmethyl)-1-[4-(1H-pyrazol-1-yl)butanoyl]piperidine
CID 124211276

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 45206678) is 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCn1cccn1)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DWKJKQAPDGYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(6-14-25-10-2-9-22-25)24-13-5-17(15-24)16-3-11-23(12-4-16)19-20-7-1-8-21-19/h1-2,7-10,16-17H,3-6,11-15H2.
What are the key properties of 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 354.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 45206678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).