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

C9H14ClN3 — CID 66025319

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1nn(C)c(CC2(N)CC2)c1Cl
InChIInChI=1S/C9H14ClN3/c1-6-8(10)7(13(2)12-6)5-9(11)3-4-9/h3-5,11H2,1-2H3
InChIKeyPVKUEYQNSCUZRF-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.42
Rot. Bonds2

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

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 66025319) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
PubChem CID66025319
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1nn(C)c(CC2(N)CC2)c1Cl
InChIInChI=1S/C9H14ClN3/c1-6-8(10)7(13(2)12-6)5-9(11)3-4-9/h3-5,11H2,1-2H3
InChIKeyPVKUEYQNSCUZRF-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026465
5-[[3-(bromomethyl)oxolan-3-yl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66042437
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467286
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79117227
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81116475

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine (CID 66025319) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine is Cc1nn(C)c(CC2(N)CC2)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is PVKUEYQNSCUZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-8(10)7(13(2)12-6)5-9(11)3-4-9/h3-5,11H2,1-2H3.
What are the key properties of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine?
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 1.42, 2 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)methyl]cyclopropan-1-amine is sourced from PubChem (CID 66025319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).