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

C11H19N5O — CID 43122279

IUPAC1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1CN
InChIInChI=1S/C11H19N5O/c1-7-8(6-12)11(15(2)14-7)16-5-3-4-9(16)10(13)17/h9H,3-6,12H2,1-2H3,(H2,13,17)
InChIKeyRNYUPMDGDZPZLW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.36
Rot. Bonds3

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

1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 43122279) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID43122279
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1CN
InChIInChI=1S/C11H19N5O/c1-7-8(6-12)11(15(2)14-7)16-5-3-4-9(16)10(13)17/h9H,3-6,12H2,1-2H3,(H2,13,17)
InChIKeyRNYUPMDGDZPZLW-UHFFFAOYSA-N
XLogP-0.36
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide (CID 43122279) is 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide is Cc1nn(C)c(N2CCCC2C(N)=O)c1CN.
What is the InChIKey of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is RNYUPMDGDZPZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-8(6-12)11(15(2)14-7)16-5-3-4-9(16)10(13)17/h9H,3-6,12H2,1-2H3,(H2,13,17).
What are the key properties of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide?
1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43122279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).