N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

C19H29N5 — CID 56718132

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1cc(C)n(CC(C)NC2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C19H29N5/c1-15-11-17(3)24(22-15)13-16(2)21-19-6-9-23(10-7-19)14-18-5-4-8-20-12-18/h4-5,8,11-12,16,19,21H,6-7,9-10,13-14H2,1-3H3
InChIKeyICQVQMZHSROJPE-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 56718132) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID56718132
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1cc(C)n(CC(C)NC2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C19H29N5/c1-15-11-17(3)24(22-15)13-16(2)21-19-6-9-23(10-7-19)14-18-5-4-8-20-12-18/h4-5,8,11-12,16,19,21H,6-7,9-10,13-14H2,1-3H3
InChIKeyICQVQMZHSROJPE-UHFFFAOYSA-N
XLogP2.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 56718132) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is Cc1cc(C)n(CC(C)NC2CCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is ICQVQMZHSROJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-15-11-17(3)24(22-15)13-16(2)21-19-6-9-23(10-7-19)14-18-5-4-8-20-12-18/h4-5,8,11-12,16,19,21H,6-7,9-10,13-14H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56718132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).