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

C14H20N4 — CID 113469689

IUPACN-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCn1cc(-c2cncc(CNC(C)C)c2)cn1
InChIInChI=1S/C14H20N4/c1-4-18-10-14(9-17-18)13-5-12(6-15-8-13)7-16-11(2)3/h5-6,8-11,16H,4,7H2,1-3H3
InChIKeyUIAYJRHIZZQCNK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds5

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

N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 113469689) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID113469689
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCn1cc(-c2cncc(CNC(C)C)c2)cn1
InChIInChI=1S/C14H20N4/c1-4-18-10-14(9-17-18)13-5-12(6-15-8-13)7-16-11(2)3/h5-6,8-11,16H,4,7H2,1-3H3
InChIKeyUIAYJRHIZZQCNK-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469801
1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 154751737
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 113469689) is N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine is CCn1cc(-c2cncc(CNC(C)C)c2)cn1.
What is the InChIKey of N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is UIAYJRHIZZQCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-18-10-14(9-17-18)13-5-12(6-15-8-13)7-16-11(2)3/h5-6,8-11,16H,4,7H2,1-3H3.
What are the key properties of N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 113469689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).