N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine

C14H20N4 — CID 113469801

IUPACN-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1c(-c2cncc(CNC(C)C)c2)cnn1C
InChIInChI=1S/C14H20N4/c1-10(2)16-7-12-5-13(8-15-6-12)14-9-17-18(4)11(14)3/h5-6,8-10,16H,7H2,1-4H3
InChIKeyAEAQEFQFDRAOER-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.29
Rot. Bonds4

About N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 113469801) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID113469801
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1c(-c2cncc(CNC(C)C)c2)cnn1C
InChIInChI=1S/C14H20N4/c1-10(2)16-7-12-5-13(8-15-6-12)14-9-17-18(4)11(14)3/h5-6,8-10,16H,7H2,1-4H3
InChIKeyAEAQEFQFDRAOER-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469689
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
4-methoxy-3-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]benzonitrile
CID 106951034
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
CID 114081519
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
CID 66097001
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541
1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 70078676
N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80640389

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 113469801) is N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1c(-c2cncc(CNC(C)C)c2)cnn1C.
What is the InChIKey of N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is AEAQEFQFDRAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)16-7-12-5-13(8-15-6-12)14-9-17-18(4)11(14)3/h5-6,8-10,16H,7H2,1-4H3.
What are the key properties of N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 113469801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).