3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine

C10H18ClN3 — CID 114663927

IUPAC3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(Cl)cnn1C(C)C
InChIInChI=1S/C10H18ClN3/c1-8(2)14-10(5-4-6-12-3)9(11)7-13-14/h7-8,12H,4-6H2,1-3H3
InChIKeyIZHUMYUBTLXBAE-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.27
Rot. Bonds5

About 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 114663927) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID114663927
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(Cl)cnn1C(C)C
InChIInChI=1S/C10H18ClN3/c1-8(2)14-10(5-4-6-12-3)9(11)7-13-14/h7-8,12H,4-6H2,1-3H3
InChIKeyIZHUMYUBTLXBAE-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
CID 105481361
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
N-methyl-3-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439686
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
CID 114652139
N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)propyl]-2-methylpropan-1-amine
CID 114664018
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
CID 122240417
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
CID 105481332
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105183622

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine (CID 114663927) is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine is CNCCCc1c(Cl)cnn1C(C)C.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is IZHUMYUBTLXBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-8(2)14-10(5-4-6-12-3)9(11)7-13-14/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine?
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 114663927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).