N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine

C10H16ClN3 — CID 114652139

IUPACN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)n1ncc(Cl)c1CNC1CC1
InChIInChI=1S/C10H16ClN3/c1-7(2)14-10(9(11)5-13-14)6-12-8-3-4-8/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyHRLYWDISQFYUPR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds4

About N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine (PubChem CID 114652139) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
PubChem CID114652139
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)n1ncc(Cl)c1CNC1CC1
InChIInChI=1S/C10H16ClN3/c1-7(2)14-10(9(11)5-13-14)6-12-8-3-4-8/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyHRLYWDISQFYUPR-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
CID 130693971
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
CID 114664509
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 114663927
5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
CID 117217706
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine (CID 114652139) is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine is CC(C)n1ncc(Cl)c1CNC1CC1.
What is the InChIKey of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is HRLYWDISQFYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)14-10(9(11)5-13-14)6-12-8-3-4-8/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine?
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 213.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114652139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).