N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine

C14H22ClN3 — CID 115656604

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
SMILESCc1nn(C)c(Cl)c1CNCC(C1CC1)C1CC1
InChIInChI=1S/C14H22ClN3/c1-9-12(14(15)18(2)17-9)7-16-8-13(10-3-4-10)11-5-6-11/h10-11,13,16H,3-8H2,1-2H3
InChIKeyUZEPBOFAQGNSPJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.91
Rot. Bonds6

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine (PubChem CID 115656604) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
PubChem CID115656604
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
SMILESCc1nn(C)c(Cl)c1CNCC(C1CC1)C1CC1
InChIInChI=1S/C14H22ClN3/c1-9-12(14(15)18(2)17-9)7-16-8-13(10-3-4-10)11-5-6-11/h10-11,13,16H,3-8H2,1-2H3
InChIKeyUZEPBOFAQGNSPJ-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
2-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpentan-1-amine
CID 107155986
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
CID 115595850
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274203
5-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 115639091
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 115616397
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267627
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine (CID 115656604) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine is Cc1nn(C)c(Cl)c1CNCC(C1CC1)C1CC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine?
The InChIKey is UZEPBOFAQGNSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-9-12(14(15)18(2)17-9)7-16-8-13(10-3-4-10)11-5-6-11/h10-11,13,16H,3-8H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine has a molecular weight of 267.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine is sourced from PubChem (CID 115656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).