N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H24N6O2 — CID 127954487

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2ccnc(N3CCCC3)n2)cnn1C
InChIInChI=1S/C18H24N6O2/c1-12-13(11-20-23(12)2)16-14(6-10-26-16)21-17(25)15-5-7-19-18(22-15)24-8-3-4-9-24/h5,7,11,14,16H,3-4,6,8-10H2,1-2H3,(H,21,25)/t14-,16+/m0/s1
InChIKeyPACABSRMLZDVKP-GOEBONIOSA-N
MW356.43 g/mol
LogP1.38
Rot. Bonds4

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 127954487) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID127954487
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2ccnc(N3CCCC3)n2)cnn1C
InChIInChI=1S/C18H24N6O2/c1-12-13(11-20-23(12)2)16-14(6-10-26-16)21-17(25)15-5-7-19-18(22-15)24-8-3-4-9-24/h5,7,11,14,16H,3-4,6,8-10H2,1-2H3,(H,21,25)/t14-,16+/m0/s1
InChIKeyPACABSRMLZDVKP-GOEBONIOSA-N
XLogP1.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 129003452
2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 127955518
1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968592
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 129327175
6-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyridine-2-carboxamide
CID 128986477
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
2-pyrrolidin-1-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrimidine-4-carboxamide
CID 95774218
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
CID 128992031
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
1-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 127962121

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 127954487) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccnc(N3CCCC3)n2)cnn1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is PACABSRMLZDVKP-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-13(11-20-23(12)2)16-14(6-10-26-16)21-17(25)15-5-7-19-18(22-15)24-8-3-4-9-24/h5,7,11,14,16H,3-4,6,8-10H2,1-2H3,(H,21,25)/t14-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 127954487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).