1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide

C14H23N5O — CID 43281451

IUPAC1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1CNC1CC1
InChIInChI=1S/C14H23N5O/c1-9-11(8-16-10-5-6-10)14(18(2)17-9)19-7-3-4-12(19)13(15)20/h10,12,16H,3-8H2,1-2H3,(H2,15,20)
InChIKeyQAMWZOUICSHWMS-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.43
Rot. Bonds5

About 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide

1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 43281451) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID43281451
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1CNC1CC1
InChIInChI=1S/C14H23N5O/c1-9-11(8-16-10-5-6-10)14(18(2)17-9)19-7-3-4-12(19)13(15)20/h10,12,16H,3-8H2,1-2H3,(H2,15,20)
InChIKeyQAMWZOUICSHWMS-UHFFFAOYSA-N
XLogP0.43
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide (CID 43281451) is 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide is Cc1nn(C)c(N2CCCC2C(N)=O)c1CNC1CC1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is QAMWZOUICSHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9-11(8-16-10-5-6-10)14(18(2)17-9)19-7-3-4-12(19)13(15)20/h10,12,16H,3-8H2,1-2H3,(H2,15,20).
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43281451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).