N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18N4O2 — CID 91652799

IUPACN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3CCCc4c(O)cccc43)c2n1
InChIInChI=1S/C18H18N4O2/c1-11-8-9-22-17(20-11)14(10-19-22)18(24)21-15-6-2-5-13-12(15)4-3-7-16(13)23/h3-4,7-10,15,23H,2,5-6H2,1H3,(H,21,24)
InChIKeyZSCRMWBKDPBPMQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.55
Rot. Bonds2

About N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91652799) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91652799
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3CCCc4c(O)cccc43)c2n1
InChIInChI=1S/C18H18N4O2/c1-11-8-9-22-17(20-11)14(10-19-22)18(24)21-15-6-2-5-13-12(15)4-3-7-16(13)23/h3-4,7-10,15,23H,2,5-6H2,1H3,(H,21,24)
InChIKeyZSCRMWBKDPBPMQ-UHFFFAOYSA-N
XLogP2.55
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
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N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
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5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
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N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91652799) is N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NC3CCCc4c(O)cccc43)c2n1.
What is the InChIKey of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZSCRMWBKDPBPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-8-9-22-17(20-11)14(10-19-22)18(24)21-15-6-2-5-13-12(15)4-3-7-16(13)23/h3-4,7-10,15,23H,2,5-6H2,1H3,(H,21,24).
What are the key properties of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91652799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).