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

C13H23ClN4 — CID 115590392

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CNC(C)CN1CCCC1
InChIInChI=1S/C13H23ClN4/c1-10(9-18-6-4-5-7-18)15-8-12-11(2)16-17(3)13(12)14/h10,15H,4-9H2,1-3H3
InChIKeyNLVNJPJNGQROEK-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.96
Rot. Bonds5

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

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 115590392) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID115590392
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CNC(C)CN1CCCC1
InChIInChI=1S/C13H23ClN4/c1-10(9-18-6-4-5-7-18)15-8-12-11(2)16-17(3)13(12)14/h10,15H,4-9H2,1-3H3
InChIKeyNLVNJPJNGQROEK-UHFFFAOYSA-N
XLogP1.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 115907864
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylheptanoic acid
CID 65289338
(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274203
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631474
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol
CID 116686352
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115906881
1-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpentan-3-amine
CID 106354133

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 115590392) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1nn(C)c(Cl)c1CNC(C)CN1CCCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is NLVNJPJNGQROEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-10(9-18-6-4-5-7-18)15-8-12-11(2)16-17(3)13(12)14/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 270.81 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 115590392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).