2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol

C12H16ClN5O — CID 141267687

IUPAC2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol
SMILESCCn1nc(CCO)cc1Nc1cc(N)c(Cl)cn1
InChIInChI=1S/C12H16ClN5O/c1-2-18-12(5-8(17-18)3-4-19)16-11-6-10(14)9(13)7-15-11/h5-7,19H,2-4H2,1H3,(H3,14,15,16)
InChIKeyQBCAGEFIEUGVMA-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.81
Rot. Bonds5

About 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol

2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol (PubChem CID 141267687) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol
PubChem CID141267687
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol
SMILESCCn1nc(CCO)cc1Nc1cc(N)c(Cl)cn1
InChIInChI=1S/C12H16ClN5O/c1-2-18-12(5-8(17-18)3-4-19)16-11-6-10(14)9(13)7-15-11/h5-7,19H,2-4H2,1H3,(H3,14,15,16)
InChIKeyQBCAGEFIEUGVMA-UHFFFAOYSA-N
XLogP1.81
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol with MolForge

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Related Compounds

[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]methanol
CID 141267692
5-chloro-2-N-(2,5-dimethylpyrazol-3-yl)pyridine-2,4-diamine
CID 141267684
5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine
CID 146270395
(4-amino-5-chloro-2-pyridinyl)methanol
CID 130880723
2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-fluoro-N-methoxybenzamide
CID 54588991
2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]methyl]-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylbenzamide
CID 58408371
2-(6-chloro-2-ethylindazol-3-yl)ethanol
CID 84725619
2,5-dichloropyridin-4-amine;hydrochloride
CID 134128726
2-(2,5-diamino-4-chlorophenyl)ethanol
CID 10197983
(5-chloro-1-ethylpyrazol-3-yl)methanamine
CID 176508791
3-[[1-ethyl-6-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]amino]-2,4-dimethylphenol
CID 178022449
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol (CID 141267687) is 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol is CCn1nc(CCO)cc1Nc1cc(N)c(Cl)cn1.
What is the InChIKey of 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol?
The InChIKey is QBCAGEFIEUGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-2-18-12(5-8(17-18)3-4-19)16-11-6-10(14)9(13)7-15-11/h5-7,19H,2-4H2,1H3,(H3,14,15,16).
What are the key properties of 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol?
2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol has a molecular weight of 281.75 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-amino-5-chloro-2-pyridinyl)amino]-1-ethylpyrazol-3-yl]ethanol is sourced from PubChem (CID 141267687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).