5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine

C17H24N4 — CID 126818493

IUPAC5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine
SMILESCCCn1nc(C)c(-c2ccc(N3CCCC3)nc2)c1C
InChIInChI=1S/C17H24N4/c1-4-9-21-14(3)17(13(2)19-21)15-7-8-16(18-12-15)20-10-5-6-11-20/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyOVAUTMXCXIPTPL-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.57
Rot. Bonds4

About 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine

5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine (PubChem CID 126818493) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine
PubChem CID126818493
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine
SMILESCCCn1nc(C)c(-c2ccc(N3CCCC3)nc2)c1C
InChIInChI=1S/C17H24N4/c1-4-9-21-14(3)17(13(2)19-21)15-7-8-16(18-12-15)20-10-5-6-11-20/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyOVAUTMXCXIPTPL-UHFFFAOYSA-N
XLogP3.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
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5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
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5-bromo-4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
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1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
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5-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 79048835
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
8-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 11362363

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine (CID 126818493) is 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine is CCCn1nc(C)c(-c2ccc(N3CCCC3)nc2)c1C.
What is the InChIKey of 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine?
The InChIKey is OVAUTMXCXIPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-9-21-14(3)17(13(2)19-21)15-7-8-16(18-12-15)20-10-5-6-11-20/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine?
5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine has a molecular weight of 284.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 126818493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).