5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide

C17H21N5O2 — CID 136566735

IUPAC5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2(c3ncccn3)CCOCC2)cc1C1CC1
InChIInChI=1S/C17H21N5O2/c1-22-14(12-3-4-12)11-13(21-22)15(23)20-17(5-9-24-10-6-17)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,20,23)
InChIKeyPHKSUUPDBJWURZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds4

About 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide

5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide (PubChem CID 136566735) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
PubChem CID136566735
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2(c3ncccn3)CCOCC2)cc1C1CC1
InChIInChI=1S/C17H21N5O2/c1-22-14(12-3-4-12)11-13(21-22)15(23)20-17(5-9-24-10-6-17)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,20,23)
InChIKeyPHKSUUPDBJWURZ-UHFFFAOYSA-N
XLogP1.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118745120
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
CID 162664518
1-ethyl-3-isobutyl-N-[1-(2-pyrimidinyl)-3-piperidinyl]-1H-pyrazole-5-carboxamide
CID 56887725
5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1H-pyrazole-3-carboxamide
CID 91923176
6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide
CID 124881842
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 138002542
(5S)-5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164632588
1,1-difluorocyclopropane;2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 166481469
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 166803626
N-[1-[2-[5-(1,1-difluoroethyl)-3-methylcyclohexa-1,5-dien-1-yl]pyrimidin-5-yl]cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide;molecular hydrogen
CID 171794351
N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride
CID 171794444

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide (CID 136566735) is 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2(c3ncccn3)CCOCC2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is PHKSUUPDBJWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22-14(12-3-4-12)11-13(21-22)15(23)20-17(5-9-24-10-6-17)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,20,23).
What are the key properties of 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide?
5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 136566735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).