1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile

C15H25N5 — CID 106641435

IUPAC1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC2CCCCN2)C(C)C)c1C#N
InChIInChI=1S/C15H25N5/c1-11(2)20(10-13-7-5-6-8-17-13)15-14(9-16)12(3)18-19(15)4/h11,13,17H,5-8,10H2,1-4H3
InChIKeyIXXIBULPULEAED-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds4

About 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile (PubChem CID 106641435) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
PubChem CID106641435
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC2CCCCN2)C(C)C)c1C#N
InChIInChI=1S/C15H25N5/c1-11(2)20(10-13-7-5-6-8-17-13)15-14(9-16)12(3)18-19(15)4/h11,13,17H,5-8,10H2,1-4H3
InChIKeyIXXIBULPULEAED-UHFFFAOYSA-N
XLogP1.96
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106618773
4,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106641327
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
3-methyl-5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazol-4-amine
CID 106641511
N,1,3,5-tetramethyl-N-(piperidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 106630407
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 79719216
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 106623523
5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
CID 106642345

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile (CID 106641435) is 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile is Cc1nn(C)c(N(CC2CCCCN2)C(C)C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
The InChIKey is IXXIBULPULEAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11(2)20(10-13-7-5-6-8-17-13)15-14(9-16)12(3)18-19(15)4/h11,13,17H,5-8,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 106641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).