N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide

C19H28ClN3O — CID 4771985

IUPACN-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28ClN3O/c1-4-15(21-18(24)17-16(20)11(2)23(3)22-17)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,4-10H2,1-3H3,(H,21,24)
InChIKeyCYPGPJKQWSWMHC-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.11
Rot. Bonds4

About N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide

N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 4771985) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
PubChem CID4771985
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28ClN3O/c1-4-15(21-18(24)17-16(20)11(2)23(3)22-17)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,4-10H2,1-3H3,(H,21,24)
InChIKeyCYPGPJKQWSWMHC-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide (CID 4771985) is N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide is CCC(NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CYPGPJKQWSWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-4-15(21-18(24)17-16(20)11(2)23(3)22-17)19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 349.91 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-4-chloro-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4771985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).