3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C19H19N5O2 — CID 56896634

IUPAC3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(C(=O)c3cnn4cccnc34)C2)c1
InChIInChI=1S/C19H19N5O2/c20-17(25)15-4-1-3-13(10-15)9-14-5-8-23(12-14)19(26)16-11-22-24-7-2-6-21-18(16)24/h1-4,6-7,10-11,14H,5,8-9,12H2,(H2,20,25)
InChIKeyUCLJBFVHDLWPSN-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.53
Rot. Bonds4

About 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 56896634) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID56896634
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CC2CCN(C(=O)c3cnn4cccnc34)C2)c1
InChIInChI=1S/C19H19N5O2/c20-17(25)15-4-1-3-13(10-15)9-14-5-8-23(12-14)19(26)16-11-22-24-7-2-6-21-18(16)24/h1-4,6-7,10-11,14H,5,8-9,12H2,(H2,20,25)
InChIKeyUCLJBFVHDLWPSN-UHFFFAOYSA-N
XLogP1.53
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95715110
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110113145
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97193036
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
[3-(fluoromethyl)azetidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 121188842
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
3-[[(3R)-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95726343
3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 56911445
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70763450
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56911925
[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969785
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124969786

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 56896634) is 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(CC2CCN(C(=O)c3cnn4cccnc34)C2)c1.
What is the InChIKey of 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is UCLJBFVHDLWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-17(25)15-4-1-3-13(10-15)9-14-5-8-23(12-14)19(26)16-11-22-24-7-2-6-21-18(16)24/h1-4,6-7,10-11,14H,5,8-9,12H2,(H2,20,25).
What are the key properties of 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 56896634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).