N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C18H22N6O — CID 3752988

IUPACN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)C1(C)C
InChIInChI=1S/C18H22N6O/c1-17(2)15(18(17,3)4)16(25)20-12-9-19-23(10-12)11-24-14-8-6-5-7-13(14)21-22-24/h5-10,15H,11H2,1-4H3,(H,20,25)
InChIKeyRITAHFXHJQIRKS-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 3752988) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID3752988
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)C1(C)C
InChIInChI=1S/C18H22N6O/c1-17(2)15(18(17,3)4)16(25)20-12-9-19-23(10-12)11-24-14-8-6-5-7-13(14)21-22-24/h5-10,15H,11H2,1-4H3,(H,20,25)
InChIKeyRITAHFXHJQIRKS-UHFFFAOYSA-N
XLogP2.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 3752988) is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)C1(C)C.
What is the InChIKey of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is RITAHFXHJQIRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-17(2)15(18(17,3)4)16(25)20-12-9-19-23(10-12)11-24-14-8-6-5-7-13(14)21-22-24/h5-10,15H,11H2,1-4H3,(H,20,25).
What are the key properties of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 3752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).