1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C23H27N5O — CID 56646030

IUPAC1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCn1nnc2cc(C3(C(=O)NC(CN4CCCC4)c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N5O/c1-27-21-10-9-18(15-19(21)25-26-27)23(11-12-23)22(29)24-20(16-28-13-5-6-14-28)17-7-3-2-4-8-17/h2-4,7-10,15,20H,5-6,11-14,16H2,1H3,(H,24,29)
InChIKeyNIVNGLMMMSSZGC-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.95
Rot. Bonds6

About 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 56646030) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID56646030
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCn1nnc2cc(C3(C(=O)NC(CN4CCCC4)c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N5O/c1-27-21-10-9-18(15-19(21)25-26-27)23(11-12-23)22(29)24-20(16-28-13-5-6-14-28)17-7-3-2-4-8-17/h2-4,7-10,15,20H,5-6,11-14,16H2,1H3,(H,24,29)
InChIKeyNIVNGLMMMSSZGC-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 56646030) is 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is Cn1nnc2cc(C3(C(=O)NC(CN4CCCC4)c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is NIVNGLMMMSSZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-21-10-9-18(15-19(21)25-26-27)23(11-12-23)22(29)24-20(16-28-13-5-6-14-28)17-7-3-2-4-8-17/h2-4,7-10,15,20H,5-6,11-14,16H2,1H3,(H,24,29).
What are the key properties of 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56646030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).