1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide

C10H17N5O — CID 43554007

IUPAC1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1N
InChIInChI=1S/C10H17N5O/c1-6-8(11)10(14(2)13-6)15-5-3-4-7(15)9(12)16/h7H,3-5,11H2,1-2H3,(H2,12,16)
InChIKeyJQKIJUQWWVLWQK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.24
Rot. Bonds2

About 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide

1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 43554007) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID43554007
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(N2CCCC2C(N)=O)c1N
InChIInChI=1S/C10H17N5O/c1-6-8(11)10(14(2)13-6)15-5-3-4-7(15)9(12)16/h7H,3-5,11H2,1-2H3,(H2,12,16)
InChIKeyJQKIJUQWWVLWQK-UHFFFAOYSA-N
XLogP-0.24
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide (CID 43554007) is 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide is Cc1nn(C)c(N2CCCC2C(N)=O)c1N.
What is the InChIKey of 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JQKIJUQWWVLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-8(11)10(14(2)13-6)15-5-3-4-7(15)9(12)16/h7H,3-5,11H2,1-2H3,(H2,12,16).
What are the key properties of 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide?
1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,3-dimethylpyrazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43554007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).