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

C10H11ClN4 — CID 79839401

IUPAC3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
SMILESCc1[nH]ncc1CNc1ccncc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-8(5-14-15-7)4-13-10-2-3-12-6-9(10)11/h2-3,5-6H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyQRPAMURPADCCDM-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.38
Rot. Bonds3

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

3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine (PubChem CID 79839401) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
PubChem CID79839401
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
SMILESCc1[nH]ncc1CNc1ccncc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-8(5-14-15-7)4-13-10-2-3-12-6-9(10)11/h2-3,5-6H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyQRPAMURPADCCDM-UHFFFAOYSA-N
XLogP2.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
3-(ethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 105069649
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine (CID 79839401) is 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine is Cc1[nH]ncc1CNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is QRPAMURPADCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-8(5-14-15-7)4-13-10-2-3-12-6-9(10)11/h2-3,5-6H,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine?
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79839401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).