N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide

C13H16ClN5O — CID 118768255

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c14-11-8-18-19(10-11)7-1-4-17-13(20)3-2-12-9-15-5-6-16-12/h5-6,8-10H,1-4,7H2,(H,17,20)
InChIKeyLWSSMHVTNNLOTC-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide

N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide (PubChem CID 118768255) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide
PubChem CID118768255
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c14-11-8-18-19(10-11)7-1-4-17-13(20)3-2-12-9-15-5-6-16-12/h5-6,8-10H,1-4,7H2,(H,17,20)
InChIKeyLWSSMHVTNNLOTC-UHFFFAOYSA-N
XLogP1.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide (CID 118768255) is N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide is O=C(CCc1cnccn1)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is LWSSMHVTNNLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-11-8-18-19(10-11)7-1-4-17-13(20)3-2-12-9-15-5-6-16-12/h5-6,8-10H,1-4,7H2,(H,17,20).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 293.76 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 118768255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).