2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C14H20N4 — CID 61167800

IUPAC2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)(C)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H20N4/c1-14(2,3)10-16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9,16H,8,10H2,1-3H3,(H,17,18)
InChIKeyHQCABHHVGAMQJN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds4

About 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 61167800) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID61167800
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)(C)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H20N4/c1-14(2,3)10-16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9,16H,8,10H2,1-3H3,(H,17,18)
InChIKeyHQCABHHVGAMQJN-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 61167800) is 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is CC(C)(C)CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is HQCABHHVGAMQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)10-16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9,16H,8,10H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 61167800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).