3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole

C10H10ClN3 — CID 141198855

IUPAC3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole
SMILESClc1cccn1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C10H10ClN3/c11-9-2-1-5-14(9)10-6-8(12-13-10)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13)
InChIKeyYURIHPKRSBTJED-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.73
Rot. Bonds2

About 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole

3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole (PubChem CID 141198855) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole.

Molecular Properties

Compound Name3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole
PubChem CID141198855
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole
SMILESClc1cccn1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C10H10ClN3/c11-9-2-1-5-14(9)10-6-8(12-13-10)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13)
InChIKeyYURIHPKRSBTJED-UHFFFAOYSA-N
XLogP2.73
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[1-(5-cyclopropyl-1H-pyrazol-3-yl)pyrrol-3-yl]methanone
CID 175238918
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide
CID 66623034
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
CID 155765634
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine
CID 11996234
2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176775
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 99784300
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
CID 122139046
5-cyclopropyl-1H-pyrazole-3-carbonitrile
CID 39235045
7-(3-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087413

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole?
The IUPAC name of 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole (CID 141198855) is 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole.
What is the SMILES notation for 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole?
The canonical SMILES for 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole is Clc1cccn1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole?
The InChIKey is YURIHPKRSBTJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-2-1-5-14(9)10-6-8(12-13-10)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13).
What are the key properties of 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole?
3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole has a molecular weight of 207.66 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole is sourced from PubChem (CID 141198855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).