N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine

C15H22N4 — CID 60912731

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCC(C)c1nn(C)cc1CNCCc1cccnc1
InChIInChI=1S/C15H22N4/c1-12(2)15-14(11-19(3)18-15)10-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyFTANHUDCBDCWQK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.27
Rot. Bonds6

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 60912731) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID60912731
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCC(C)c1nn(C)cc1CNCCc1cccnc1
InChIInChI=1S/C15H22N4/c1-12(2)15-14(11-19(3)18-15)10-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyFTANHUDCBDCWQK-UHFFFAOYSA-N
XLogP2.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 83082450
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332595
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86808154

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine (CID 60912731) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine is CC(C)c1nn(C)cc1CNCCc1cccnc1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is FTANHUDCBDCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)15-14(11-19(3)18-15)10-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 60912731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).