4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine

C10H14ClN5 — CID 7176038

IUPAC4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCn1cc(Cn2cc(Cl)c(N)n2)c(C)n1
InChIInChI=1S/C10H14ClN5/c1-3-15-4-8(7(2)13-15)5-16-6-9(11)10(12)14-16/h4,6H,3,5H2,1-2H3,(H2,12,14)
InChIKeyHKQVQIFWRFLJGC-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.69
Rot. Bonds3

About 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine

4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 7176038) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID7176038
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCn1cc(Cn2cc(Cl)c(N)n2)c(C)n1
InChIInChI=1S/C10H14ClN5/c1-3-15-4-8(7(2)13-15)5-16-6-9(11)10(12)14-16/h4,6H,3,5H2,1-2H3,(H2,12,14)
InChIKeyHKQVQIFWRFLJGC-UHFFFAOYSA-N
XLogP1.69
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-1H-tetrazole-1,5-diamine
CID 6891021
4-Chloro-1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176059
4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616393
4-chloro-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616631
N,N,1,3-tetramethyl-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrazol-5-amine
CID 51105179
N,N,1,3-tetramethyl-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]pyrazol-5-amine
CID 53540191
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 126823784
4-chloro-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-nitro-1H-pyrazole
CID 17025940
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166640
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-5-amine
CID 122166642
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166681
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-5-amine
CID 122166683

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 7176038) is 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine is CCn1cc(Cn2cc(Cl)c(N)n2)c(C)n1.
What is the InChIKey of 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is HKQVQIFWRFLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-3-15-4-8(7(2)13-15)5-16-6-9(11)10(12)14-16/h4,6H,3,5H2,1-2H3,(H2,12,14).
What are the key properties of 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 239.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7176038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).