N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

C17H25N5 — CID 75484802

IUPACN-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESCc1ncccc1CNc1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C17H25N5/c1-15-16(6-5-7-18-15)12-19-17-13-20-22(14-17)11-10-21-8-3-2-4-9-21/h5-7,13-14,19H,2-4,8-12H2,1H3
InChIKeyYTXVNORLFQRSTE-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.68
Rot. Bonds6

About N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (PubChem CID 75484802) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
PubChem CID75484802
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESCc1ncccc1CNc1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C17H25N5/c1-15-16(6-5-7-18-15)12-19-17-13-20-22(14-17)11-10-21-8-3-2-4-9-21/h5-7,13-14,19H,2-4,8-12H2,1H3
InChIKeyYTXVNORLFQRSTE-UHFFFAOYSA-N
XLogP2.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
CID 75434835
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
N-[(2-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 115692632
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
3-methyl-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 115671114
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176
3-[(2-methyl-3-pyridinyl)methylamino]phenol
CID 99790074
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (CID 75484802) is N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is Cc1ncccc1CNc1cnn(CCN2CCCCC2)c1.
What is the InChIKey of N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The InChIKey is YTXVNORLFQRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-15-16(6-5-7-18-15)12-19-17-13-20-22(14-17)11-10-21-8-3-2-4-9-21/h5-7,13-14,19H,2-4,8-12H2,1H3.
What are the key properties of N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine has a molecular weight of 299.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 75484802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).