N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide

C19H28ClN3O — CID 19542089

IUPACN-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28ClN3O/c1-2-17(22-18(24)3-4-23-12-16(20)11-21-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15,17H,2-10H2,1H3,(H,22,24)
InChIKeyYYZOYKOGAHVXKT-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide

N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19542089) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID19542089
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28ClN3O/c1-2-17(22-18(24)3-4-23-12-16(20)11-21-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15,17H,2-10H2,1H3,(H,22,24)
InChIKeyYYZOYKOGAHVXKT-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 844723
CID 844723
CID 3424399
CID 3424399
CID 3556765
CID 3556765
CID 5306183
CID 5306183
CID 4769216
CID 4769216
CID 137993424
CID 137993424
CID 4128801
CID 4128801
CID 29216830
CID 29216830
CID 46983207
CID 46983207
CID 118764755
CID 118764755
CID 4768935
CID 4768935
CID 19575421
CID 19575421

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide (CID 19542089) is N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide is CCC(NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is YYZOYKOGAHVXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-2-17(22-18(24)3-4-23-12-16(20)11-21-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15,17H,2-10H2,1H3,(H,22,24).
What are the key properties of N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
N-[1-(1-adamantyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 349.91 g/mol, XLogP of 4.04, 6 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]-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19542089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).