1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide

C14H19N7O — CID 126948012

IUPAC1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCN(C)c1ccnc(N2CCC(n3cc(C(N)=O)cn3)C2)n1
InChIInChI=1S/C14H19N7O/c1-19(2)12-3-5-16-14(18-12)20-6-4-11(9-20)21-8-10(7-17-21)13(15)22/h3,5,7-8,11H,4,6,9H2,1-2H3,(H2,15,22)
InChIKeyAKJMULWBPBAEKO-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.29
Rot. Bonds4

About 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide

1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126948012) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID126948012
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCN(C)c1ccnc(N2CCC(n3cc(C(N)=O)cn3)C2)n1
InChIInChI=1S/C14H19N7O/c1-19(2)12-3-5-16-14(18-12)20-6-4-11(9-20)21-8-10(7-17-21)13(15)22/h3,5,7-8,11H,4,6,9H2,1-2H3,(H2,15,22)
InChIKeyAKJMULWBPBAEKO-UHFFFAOYSA-N
XLogP0.29
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948677
1-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948101
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948008
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948123
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 126948012) is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide is CN(C)c1ccnc(N2CCC(n3cc(C(N)=O)cn3)C2)n1.
What is the InChIKey of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is AKJMULWBPBAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-19(2)12-3-5-16-14(18-12)20-6-4-11(9-20)21-8-10(7-17-21)13(15)22/h3,5,7-8,11H,4,6,9H2,1-2H3,(H2,15,22).
What are the key properties of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126948012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).