1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine

C9H14ClN3 — CID 105452576

IUPAC1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCc1[nH]nc(Cl)c1CCC1(N)CC1
InChIInChI=1S/C9H14ClN3/c1-6-7(8(10)13-12-6)2-3-9(11)4-5-9/h2-5,11H2,1H3,(H,12,13)
InChIKeyBDQTZLKYOIMSTO-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.80
Rot. Bonds3

About 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine

1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105452576) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105452576
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCc1[nH]nc(Cl)c1CCC1(N)CC1
InChIInChI=1S/C9H14ClN3/c1-6-7(8(10)13-12-6)2-3-9(11)4-5-9/h2-5,11H2,1H3,(H,12,13)
InChIKeyBDQTZLKYOIMSTO-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine (CID 105452576) is 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine is Cc1[nH]nc(Cl)c1CCC1(N)CC1.
What is the InChIKey of 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is BDQTZLKYOIMSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-7(8(10)13-12-6)2-3-9(11)4-5-9/h2-5,11H2,1H3,(H,12,13).
What are the key properties of 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105452576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).