1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide

C10H17N5O — CID 63758386

IUPAC1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NC2CCNC2)c1C(N)=O
InChIInChI=1S/C10H17N5O/c1-6-8(9(11)16)10(15(2)14-6)13-7-3-4-12-5-7/h7,12-13H,3-5H2,1-2H3,(H2,11,16)
InChIKeyKDVSFFWDXPTFHB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.40
Rot. Bonds3

About 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide

1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide (PubChem CID 63758386) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide
PubChem CID63758386
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NC2CCNC2)c1C(N)=O
InChIInChI=1S/C10H17N5O/c1-6-8(9(11)16)10(15(2)14-6)13-7-3-4-12-5-7/h7,12-13H,3-5H2,1-2H3,(H2,11,16)
InChIKeyKDVSFFWDXPTFHB-UHFFFAOYSA-N
XLogP-0.40
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide (CID 63758386) is 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide is Cc1nn(C)c(NC2CCNC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide?
The InChIKey is KDVSFFWDXPTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-8(9(11)16)10(15(2)14-6)13-7-3-4-12-5-7/h7,12-13H,3-5H2,1-2H3,(H2,11,16).
What are the key properties of 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide?
1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(pyrrolidin-3-ylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 63758386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).