N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide

C22H25N5O — CID 86939297

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(C3CC3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-22(2,3)18-13-19(27(26-18)14-15-7-5-4-6-8-15)25-21(28)17-11-12-23-20(24-17)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28)
InChIKeyXGVQUIVRQGUFTI-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.15
Rot. Bonds5

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide (PubChem CID 86939297) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
PubChem CID86939297
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(C3CC3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-22(2,3)18-13-19(27(26-18)14-15-7-5-4-6-8-15)25-21(28)17-11-12-23-20(24-17)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28)
InChIKeyXGVQUIVRQGUFTI-UHFFFAOYSA-N
XLogP4.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
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7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide (CID 86939297) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccnc(C3CC3)n2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide?
The InChIKey is XGVQUIVRQGUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2,3)18-13-19(27(26-18)14-15-7-5-4-6-8-15)25-21(28)17-11-12-23-20(24-17)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide is sourced from PubChem (CID 86939297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).