5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C14H20N6O — CID 110272258

IUPAC5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1cnc[nH]1
InChIInChI=1S/C14H20N6O/c1-19(2)14(21)11-7-17-18-13(11)12-4-3-5-20(12)8-10-6-15-9-16-10/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDANNQEBNBFBOCD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.17
Rot. Bonds4

About 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 110272258) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID110272258
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1cnc[nH]1
InChIInChI=1S/C14H20N6O/c1-19(2)14(21)11-7-17-18-13(11)12-4-3-5-20(12)8-10-6-15-9-16-10/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDANNQEBNBFBOCD-UHFFFAOYSA-N
XLogP1.17
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 110272258) is 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1cnc[nH]1.
What is the InChIKey of 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DANNQEBNBFBOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19(2)14(21)11-7-17-18-13(11)12-4-3-5-20(12)8-10-6-15-9-16-10/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).