3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine

C11H13ClN4 — CID 114663382

IUPAC3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
SMILESCCn1ncc(Cl)c1Cc1cccnc1N
InChIInChI=1S/C11H13ClN4/c1-2-16-10(9(12)7-15-16)6-8-4-3-5-14-11(8)13/h3-5,7H,2,6H2,1H3,(H2,13,14)
InChIKeyAHQDPSGNBLLQND-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.12
Rot. Bonds3

About 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine

3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine (PubChem CID 114663382) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
PubChem CID114663382
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
SMILESCCn1ncc(Cl)c1Cc1cccnc1N
InChIInChI=1S/C11H13ClN4/c1-2-16-10(9(12)7-15-16)6-8-4-3-5-14-11(8)13/h3-5,7H,2,6H2,1H3,(H2,13,14)
InChIKeyAHQDPSGNBLLQND-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043
3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 106870023
3-[(3-chlorothiophen-2-yl)methyl]pyridin-2-amine
CID 107360745
3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 107560925
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777549
ethane;3-propylpyridin-2-amine
CID 176926436
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80583349
3-[(2,6-dimethoxyphenyl)methyl]pyridin-2-amine
CID 116811036
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
3-(butylsulfanylmethyl)pyridin-2-amine
CID 62469458

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine (CID 114663382) is 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine is CCn1ncc(Cl)c1Cc1cccnc1N.
What is the InChIKey of 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is AHQDPSGNBLLQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-16-10(9(12)7-15-16)6-8-4-3-5-14-11(8)13/h3-5,7H,2,6H2,1H3,(H2,13,14).
What are the key properties of 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114663382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).