N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide

C22H27N5O2 — CID 135891988

IUPACN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H27N5O2/c1-12-4-19(28)25-21(23-12)27-18(8-17(26-27)16-2-3-16)24-20(29)22-9-13-5-14(10-22)7-15(6-13)11-22/h4,8,13-16H,2-3,5-7,9-11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyBPJUVQIKLPBYGO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.30
Rot. Bonds4

About N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (PubChem CID 135891988) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
PubChem CID135891988
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H27N5O2/c1-12-4-19(28)25-21(23-12)27-18(8-17(26-27)16-2-3-16)24-20(29)22-9-13-5-14(10-22)7-15(6-13)11-22/h4,8,13-16H,2-3,5-7,9-11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyBPJUVQIKLPBYGO-UHFFFAOYSA-N
XLogP3.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (CID 135891988) is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The InChIKey is BPJUVQIKLPBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-12-4-19(28)25-21(23-12)27-18(8-17(26-27)16-2-3-16)24-20(29)22-9-13-5-14(10-22)7-15(6-13)11-22/h4,8,13-16H,2-3,5-7,9-11H2,1H3,(H,24,29)(H,23,25,28).
What are the key properties of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135891988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).