2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide

C9H15N5O2 — CID 43116774

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
SMILESCc1nn(C(C)C(=O)NC(N)=O)c(C)c1N
InChIInChI=1S/C9H15N5O2/c1-4-7(10)5(2)14(13-4)6(3)8(15)12-9(11)16/h6H,10H2,1-3H3,(H3,11,12,15,16)
InChIKeyKMGHQPBCOJFPBY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.16
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide (PubChem CID 43116774) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
PubChem CID43116774
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
SMILESCc1nn(C(C)C(=O)NC(N)=O)c(C)c1N
InChIInChI=1S/C9H15N5O2/c1-4-7(10)5(2)14(13-4)6(3)8(15)12-9(11)16/h6H,10H2,1-3H3,(H3,11,12,15,16)
InChIKeyKMGHQPBCOJFPBY-UHFFFAOYSA-N
XLogP-0.16
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide (CID 43116774) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide is Cc1nn(C(C)C(=O)NC(N)=O)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide?
The InChIKey is KMGHQPBCOJFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4-7(10)5(2)14(13-4)6(3)8(15)12-9(11)16/h6H,10H2,1-3H3,(H3,11,12,15,16).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide has a molecular weight of 225.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 43116774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).