4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

C9H12ClN5 — CID 19616631

IUPAC4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1c(Cn2cc(Cl)c(N)n2)cnn1C
InChIInChI=1S/C9H12ClN5/c1-6-7(3-12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13)
InChIKeyVSUQQSJMBFWALA-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.21
Rot. Bonds2

About 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 19616631) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID19616631
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1c(Cn2cc(Cl)c(N)n2)cnn1C
InChIInChI=1S/C9H12ClN5/c1-6-7(3-12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13)
InChIKeyVSUQQSJMBFWALA-UHFFFAOYSA-N
XLogP1.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.21
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-3-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176038
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
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-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 19616631) is 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is Cc1c(Cn2cc(Cl)c(N)n2)cnn1C.
What is the InChIKey of 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is VSUQQSJMBFWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-7(3-12-14(6)2)4-15-5-8(10)9(11)13-15/h3,5H,4H2,1-2H3,(H2,11,13).
What are the key properties of 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 225.68 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 19616631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).