5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C15H23N5 — CID 79719216

IUPAC5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC2CCNCC2)C2CC2)c1C#N
InChIInChI=1S/C15H23N5/c1-11-14(9-16)15(19(2)18-11)20(13-3-4-13)10-12-5-7-17-8-6-12/h12-13,17H,3-8,10H2,1-2H3
InChIKeyPCCASSGGGCIHRA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.57
Rot. Bonds4

About 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 79719216) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID79719216
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC2CCNCC2)C2CC2)c1C#N
InChIInChI=1S/C15H23N5/c1-11-14(9-16)15(19(2)18-11)20(13-3-4-13)10-12-5-7-17-8-6-12/h12-13,17H,3-8,10H2,1-2H3
InChIKeyPCCASSGGGCIHRA-UHFFFAOYSA-N
XLogP1.57
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81035702
1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
CID 106641435
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 79719645
1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
CID 79719369
1,3-dimethyl-5-(piperidin-3-ylmethoxy)pyrazole-4-carbonitrile
CID 55241528
N-cyclopropyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 79705738
N-cyclopropyl-N-(piperidin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400593
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212
3-bromo-5-[cyclopropyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 102819169
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751803
1,3-dimethyl-5-(3-piperidin-4-yloxypropylamino)pyrazole-4-carbonitrile
CID 63870517
5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751974

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 79719216) is 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N(CC2CCNCC2)C2CC2)c1C#N.
What is the InChIKey of 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is PCCASSGGGCIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-14(9-16)15(19(2)18-11)20(13-3-4-13)10-12-5-7-17-8-6-12/h12-13,17H,3-8,10H2,1-2H3.
What are the key properties of 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 79719216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).