(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

C8H10ClN3O — CID 114669515

IUPAC(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(N)CC1
InChIInChI=1S/C8H10ClN3O/c1-12-6(5(9)4-11-12)7(13)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyPAUBZSVKJKFVKU-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.75
Rot. Bonds2

About (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (PubChem CID 114669515) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
PubChem CID114669515
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(N)CC1
InChIInChI=1S/C8H10ClN3O/c1-12-6(5(9)4-11-12)7(13)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyPAUBZSVKJKFVKU-UHFFFAOYSA-N
XLogP0.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114668649
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583
(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (CID 114669515) is (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is Cn1ncc(Cl)c1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The InChIKey is PAUBZSVKJKFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-12-6(5(9)4-11-12)7(13)8(10)2-3-8/h4H,2-3,10H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone has a molecular weight of 199.64 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).