2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide

C18H20ClN5O2 — CID 167807945

IUPAC2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(NC(=O)NC2C3Cc4c(Cl)cccc4C32)n1
InChIInChI=1S/C18H20ClN5O2/c1-23(2)15(25)9-24-7-6-14(22-24)20-18(26)21-17-12-8-11-10(16(12)17)4-3-5-13(11)19/h3-7,12,16-17H,8-9H2,1-2H3,(H2,20,21,22,26)
InChIKeyQLQZZSFEJUEWQS-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.08
Rot. Bonds4

About 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide

2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 167807945) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID167807945
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(NC(=O)NC2C3Cc4c(Cl)cccc4C32)n1
InChIInChI=1S/C18H20ClN5O2/c1-23(2)15(25)9-24-7-6-14(22-24)20-18(26)21-17-12-8-11-10(16(12)17)4-3-5-13(11)19/h3-7,12,16-17H,8-9H2,1-2H3,(H2,20,21,22,26)
InChIKeyQLQZZSFEJUEWQS-UHFFFAOYSA-N
XLogP2.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide (CID 167807945) is 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc(NC(=O)NC2C3Cc4c(Cl)cccc4C32)n1.
What is the InChIKey of 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is QLQZZSFEJUEWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-23(2)15(25)9-24-7-6-14(22-24)20-18(26)21-17-12-8-11-10(16(12)17)4-3-5-13(11)19/h3-7,12,16-17H,8-9H2,1-2H3,(H2,20,21,22,26).
What are the key properties of 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 373.84 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)carbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 167807945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).