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

C10H16N4O — CID 131091837

IUPAC4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1cnn(C)c1C1CNCC1C(N)=O
InChIInChI=1S/C10H16N4O/c1-6-3-13-14(2)9(6)7-4-12-5-8(7)10(11)15/h3,7-8,12H,4-5H2,1-2H3,(H2,11,15)
InChIKeyNFIHWCMGJGUUFU-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.48
Rot. Bonds2

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

4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 131091837) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID131091837
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1cnn(C)c1C1CNCC1C(N)=O
InChIInChI=1S/C10H16N4O/c1-6-3-13-14(2)9(6)7-4-12-5-8(7)10(11)15/h3,7-8,12H,4-5H2,1-2H3,(H2,11,15)
InChIKeyNFIHWCMGJGUUFU-UHFFFAOYSA-N
XLogP-0.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide (CID 131091837) is 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide is Cc1cnn(C)c1C1CNCC1C(N)=O.
What is the InChIKey of 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is NFIHWCMGJGUUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-3-13-14(2)9(6)7-4-12-5-8(7)10(11)15/h3,7-8,12H,4-5H2,1-2H3,(H2,11,15).
What are the key properties of 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide?
4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131091837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).