1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine

C10H16ClN3 — CID 83835443

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1c(Cl)c(C)nn1C)C1CC1
InChIInChI=1S/C10H16ClN3/c1-6-8(11)10(14(3)13-6)9(12-2)7-4-5-7/h7,9,12H,4-5H2,1-3H3
InChIKeyNVSRALTUZLWHJY-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 83835443) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine
PubChem CID83835443
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1c(Cl)c(C)nn1C)C1CC1
InChIInChI=1S/C10H16ClN3/c1-6-8(11)10(14(3)13-6)9(12-2)7-4-5-7/h7,9,12H,4-5H2,1-3H3
InChIKeyNVSRALTUZLWHJY-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025388
1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine
CID 83909897
N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105157191
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996892
4-chloro-5-fluoro-1,3-dimethylpyrazole
CID 170913532
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265889
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
[(4-methylcyclohexyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105311803
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine (CID 83835443) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine is CNC(c1c(Cl)c(C)nn1C)C1CC1.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is NVSRALTUZLWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6-8(11)10(14(3)13-6)9(12-2)7-4-5-7/h7,9,12H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 83835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).