N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine

C15H20N4 — CID 83013966

IUPACN-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
SMILESc1ccc(-n2ccc(CNN3CCCCC3)n2)cc1
InChIInChI=1S/C15H20N4/c1-3-7-15(8-4-1)19-12-9-14(17-19)13-16-18-10-5-2-6-11-18/h1,3-4,7-9,12,16H,2,5-6,10-11,13H2
InChIKeyOWQCOUHRULRMPK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine

N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine (PubChem CID 83013966) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
PubChem CID83013966
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
SMILESc1ccc(-n2ccc(CNN3CCCCC3)n2)cc1
InChIInChI=1S/C15H20N4/c1-3-7-15(8-4-1)19-12-9-14(17-19)13-16-18-10-5-2-6-11-18/h1,3-4,7-9,12,16H,2,5-6,10-11,13H2
InChIKeyOWQCOUHRULRMPK-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62884987
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
CID 115897888
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
CID 106008498
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
CID 83093214
N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
CID 115595875
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
CID 83006670
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 86781026
4-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxan-4-amine
CID 115897887
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine (CID 83013966) is N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine is c1ccc(-n2ccc(CNN3CCCCC3)n2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine?
The InChIKey is OWQCOUHRULRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-7-15(8-4-1)19-12-9-14(17-19)13-16-18-10-5-2-6-11-18/h1,3-4,7-9,12,16H,2,5-6,10-11,13H2.
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine?
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83013966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).