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

C9H12ClN5 — CID 62193456

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Cn1cc(Cl)cn1
InChIInChI=1S/C9H12ClN5/c1-6-8(9(11)14(2)13-6)5-15-4-7(10)3-12-15/h3-4H,5,11H2,1-2H3
InChIKeyFDFMSGXDGZEKAG-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.21
Rot. Bonds2

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

4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 62193456) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID62193456
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Cn1cc(Cl)cn1
InChIInChI=1S/C9H12ClN5/c1-6-8(9(11)14(2)13-6)5-15-4-7(10)3-12-15/h3-4H,5,11H2,1-2H3
InChIKeyFDFMSGXDGZEKAG-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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine (CID 62193456) is 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1Cn1cc(Cl)cn1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is FDFMSGXDGZEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-8(9(11)14(2)13-6)5-15-4-7(10)3-12-15/h3-4H,5,11H2,1-2H3.
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-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-[(4-chloropyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).