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

C10H16ClN3 — CID 83909897

IUPAC1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine
SMILESCc1nn(C)c(C(C)C2(N)CC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-6(10(12)4-5-10)9-8(11)7(2)13-14(9)3/h6H,4-5,12H2,1-3H3
InChIKeyNPPFIADMGQIYLO-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.98
Rot. Bonds2

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

1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 83909897) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine
PubChem CID83909897
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine
SMILESCc1nn(C)c(C(C)C2(N)CC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-6(10(12)4-5-10)9-8(11)7(2)13-14(9)3/h6H,4-5,12H2,1-3H3
InChIKeyNPPFIADMGQIYLO-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine
CID 83835443
4-chloro-5-fluoro-1,3-dimethylpyrazole
CID 170913532
1-(5-chloro-1,3-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 84769912
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
CID 84671971
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
4-chloro-1,3-dimethylpyrazol-5-olate
CID 147232015
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467286
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine (CID 83909897) is 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine is Cc1nn(C)c(C(C)C2(N)CC2)c1Cl.
What is the InChIKey of 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is NPPFIADMGQIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6(10(12)4-5-10)9-8(11)7(2)13-14(9)3/h6H,4-5,12H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine?
1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 83909897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).