1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile

C14H20N4O — CID 72939176

IUPAC1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile
SMILESCCCn1cc(C(=O)N2CCCC(C#N)C2)c(C)n1
InChIInChI=1S/C14H20N4O/c1-3-6-18-10-13(11(2)16-18)14(19)17-7-4-5-12(8-15)9-17/h10,12H,3-7,9H2,1-2H3
InChIKeyUKMMRWMTRWAVNP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile

1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile (PubChem CID 72939176) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile
PubChem CID72939176
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile
SMILESCCCn1cc(C(=O)N2CCCC(C#N)C2)c(C)n1
InChIInChI=1S/C14H20N4O/c1-3-6-18-10-13(11(2)16-18)14(19)17-7-4-5-12(8-15)9-17/h10,12H,3-7,9H2,1-2H3
InChIKeyUKMMRWMTRWAVNP-UHFFFAOYSA-N
XLogP1.98
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205329
4-[(3S)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205330
(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 19575922
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622
(3-methyl-1-propylpyrazol-4-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 72921188
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
(3aS,6aS)-5-(3-methyl-1-propylpyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146044186
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 133122822

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile (CID 72939176) is 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile is CCCn1cc(C(=O)N2CCCC(C#N)C2)c(C)n1.
What is the InChIKey of 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile?
The InChIKey is UKMMRWMTRWAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-6-18-10-13(11(2)16-18)14(19)17-7-4-5-12(8-15)9-17/h10,12H,3-7,9H2,1-2H3.
What are the key properties of 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile?
1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 72939176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).