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

C10H14ClN5 — CID 19618529

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1nn(Cn2nc(N)cc2C)c(C)c1Cl
InChIInChI=1S/C10H14ClN5/c1-6-4-9(12)14-15(6)5-16-8(3)10(11)7(2)13-16/h4H,5H2,1-3H3,(H2,12,14)
InChIKeyQRMWNKQVDBUDPK-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.75
Rot. Bonds2

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

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 19618529) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID19618529
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1nn(Cn2nc(N)cc2C)c(C)c1Cl
InChIInChI=1S/C10H14ClN5/c1-6-4-9(12)14-15(6)5-16-8(3)10(11)7(2)13-16/h4H,5H2,1-3H3,(H2,12,14)
InChIKeyQRMWNKQVDBUDPK-UHFFFAOYSA-N
XLogP1.75
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine (CID 19618529) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine is Cc1nn(Cn2nc(N)cc2C)c(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is QRMWNKQVDBUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-6-4-9(12)14-15(6)5-16-8(3)10(11)7(2)13-16/h4H,5H2,1-3H3,(H2,12,14).
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 239.71 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19618529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).