(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C20H28N6O — CID 95718498

IUPAC(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1nccc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-2-11-26-18(4-10-23-26)19(27)25-14-7-17(15-25)16-5-12-24(13-6-16)20-21-8-3-9-22-20/h3-4,8-10,16-17H,2,5-7,11-15H2,1H3/t17-/m1/s1
InChIKeyPNQZILFAZRKPSP-QGZVFWFLSA-N
MW368.49 g/mol
LogP2.46
Rot. Bonds5

About (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95718498) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95718498
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1nccc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-2-11-26-18(4-10-23-26)19(27)25-14-7-17(15-25)16-5-12-24(13-6-16)20-21-8-3-9-22-20/h3-4,8-10,16-17H,2,5-7,11-15H2,1H3/t17-/m1/s1
InChIKeyPNQZILFAZRKPSP-QGZVFWFLSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
2-{4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinyl}pyrimidine
CID 4769678
N-methyl-6-[(5-methyl-1H-pyrazol-1-yl)acetyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72870385
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
US11186582, Example 437
CID 118472497
US11186582, Example 411
CID 118472614
US10022354, Example 100
CID 121279607
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 95718498) is (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CCCn1nccc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PNQZILFAZRKPSP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6O/c1-2-11-26-18(4-10-23-26)19(27)25-14-7-17(15-25)16-5-12-24(13-6-16)20-21-8-3-9-22-20/h3-4,8-10,16-17H,2,5-7,11-15H2,1H3/t17-/m1/s1.
What are the key properties of (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95718498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).