N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide

C14H20ClN5O — CID 19559737

IUPACN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCCCn2cc(Cl)c(C)n2)c1
InChIInChI=1S/C14H20ClN5O/c1-11-8-17-19(9-11)7-4-14(21)16-5-3-6-20-10-13(15)12(2)18-20/h8-10H,3-7H2,1-2H3,(H,16,21)
InChIKeyAVDLXZLNPXYFDI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.95
Rot. Bonds7

About N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 19559737) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID19559737
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCCCn2cc(Cl)c(C)n2)c1
InChIInChI=1S/C14H20ClN5O/c1-11-8-17-19(9-11)7-4-14(21)16-5-3-6-20-10-13(15)12(2)18-20/h8-10H,3-7H2,1-2H3,(H,16,21)
InChIKeyAVDLXZLNPXYFDI-UHFFFAOYSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.95
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

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565980
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19544017
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
methyl (E)-5-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]pent-2-enoate
CID 146100006
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
2-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19325691
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 19559737) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NCCCn2cc(Cl)c(C)n2)c1.
What is the InChIKey of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is AVDLXZLNPXYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11-8-17-19(9-11)7-4-14(21)16-5-3-6-20-10-13(15)12(2)18-20/h8-10H,3-7H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 309.80 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19559737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).