1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

C16H17N5 — CID 43766878

IUPAC1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cn[nH]c1-c1cccnc1)c1ccncc1
InChIInChI=1S/C16H17N5/c1-12(13-4-7-17-8-5-13)19-10-15-11-20-21-16(15)14-3-2-6-18-9-14/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyMNBDNMUMNXHNAQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.72
Rot. Bonds5

About 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43766878) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43766878
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cn[nH]c1-c1cccnc1)c1ccncc1
InChIInChI=1S/C16H17N5/c1-12(13-4-7-17-8-5-13)19-10-15-11-20-21-16(15)14-3-2-6-18-9-14/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyMNBDNMUMNXHNAQ-UHFFFAOYSA-N
XLogP2.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
(1S)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398695
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
N-ethyl-N-methyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103107422
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43766878) is 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is CC(NCc1cn[nH]c1-c1cccnc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is MNBDNMUMNXHNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12(13-4-7-17-8-5-13)19-10-15-11-20-21-16(15)14-3-2-6-18-9-14/h2-9,11-12,19H,10H2,1H3,(H,20,21).
What are the key properties of 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43766878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).