N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine

C17H25N5 — CID 56820207

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCc1n[nH]c(C)c1CNCc1cccnc1N1CCCCC1
InChIInChI=1S/C17H25N5/c1-13-16(14(2)21-20-13)12-18-11-15-7-6-8-19-17(15)22-9-4-3-5-10-22/h6-8,18H,3-5,9-12H2,1-2H3,(H,20,21)
InChIKeyMJCHIYMJOMZEOP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.70
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine (PubChem CID 56820207) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
PubChem CID56820207
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
SMILESCc1n[nH]c(C)c1CNCc1cccnc1N1CCCCC1
InChIInChI=1S/C17H25N5/c1-13-16(14(2)21-20-13)12-18-11-15-7-6-8-19-17(15)22-9-4-3-5-10-22/h6-8,18H,3-5,9-12H2,1-2H3,(H,20,21)
InChIKeyMJCHIYMJOMZEOP-UHFFFAOYSA-N
XLogP2.70
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 26397264
1-(1,3-benzodioxol-4-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 56817780
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728851
1-[4-[[[2-(azocan-1-yl)-3-pyridinyl]methylamino]methyl]thiophen-2-yl]ethanone
CID 42195517
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 86808956
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113225951
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine (CID 56820207) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine is Cc1n[nH]c(C)c1CNCc1cccnc1N1CCCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
The InChIKey is MJCHIYMJOMZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-16(14(2)21-20-13)12-18-11-15-7-6-8-19-17(15)22-9-4-3-5-10-22/h6-8,18H,3-5,9-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine has a molecular weight of 299.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 56820207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).