5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

C14H21N5 — CID 63757160

IUPAC5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC2CCN(C3CC3)C2)c1C#N
InChIInChI=1S/C14H21N5/c1-10-13(7-15)14(18(2)17-10)16-8-11-5-6-19(9-11)12-3-4-12/h11-12,16H,3-6,8-9H2,1-2H3
InChIKeyGBCFKWBGTSMAEP-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.50
Rot. Bonds4

About 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63757160) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63757160
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC2CCN(C3CC3)C2)c1C#N
InChIInChI=1S/C14H21N5/c1-10-13(7-15)14(18(2)17-10)16-8-11-5-6-19(9-11)12-3-4-12/h11-12,16H,3-6,8-9H2,1-2H3
InChIKeyGBCFKWBGTSMAEP-UHFFFAOYSA-N
XLogP1.50
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 79071193
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757854
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756463
5-(1,4-dioxan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757163
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-methylbenzonitrile
CID 54934509
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-methylbenzonitrile
CID 107111087
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757333
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169165

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63757160) is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCC2CCN(C3CC3)C2)c1C#N.
What is the InChIKey of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is GBCFKWBGTSMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-13(7-15)14(18(2)17-10)16-8-11-5-6-19(9-11)12-3-4-12/h11-12,16H,3-6,8-9H2,1-2H3.
What are the key properties of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63757160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).