N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H18N6O2 — CID 91765556

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1cc(C(NC(=O)c2cc3ncccn3n2)C2CC(O)C2)cn1
InChIInChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)15(10-5-12(23)6-10)19-16(24)13-7-14-17-3-2-4-22(14)20-13/h2-4,7-10,12,15,23H,5-6H2,1H3,(H,19,24)
InChIKeyUKBXCKPUHNORFN-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.70
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91765556) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91765556
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1cc(C(NC(=O)c2cc3ncccn3n2)C2CC(O)C2)cn1
InChIInChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)15(10-5-12(23)6-10)19-16(24)13-7-14-17-3-2-4-22(14)20-13/h2-4,7-10,12,15,23H,5-6H2,1H3,(H,19,24)
InChIKeyUKBXCKPUHNORFN-UHFFFAOYSA-N
XLogP0.70
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91765556) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1cc(C(NC(=O)c2cc3ncccn3n2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UKBXCKPUHNORFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)15(10-5-12(23)6-10)19-16(24)13-7-14-17-3-2-4-22(14)20-13/h2-4,7-10,12,15,23H,5-6H2,1H3,(H,19,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).