N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide

C21H23ClN6O — CID 118946439

IUPACN-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide
SMILESO=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1ncc(C2CC2)[nH]1
InChIInChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29)
InChIKeyFAONROFAUHXDEW-UHFFFAOYSA-N
MW410.91 g/mol
LogP2.80
Rot. Bonds7

About N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide

N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide (PubChem CID 118946439) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide
PubChem CID118946439
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC NameN-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide
SMILESO=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1ncc(C2CC2)[nH]1
InChIInChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29)
InChIKeyFAONROFAUHXDEW-UHFFFAOYSA-N
XLogP2.80
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 70772974
CID 70772974
CID 11582697
CID 11582697
CID 168288130
CID 168288130
CID 118696830
CID 118696830
CID 118696862
CID 118696862
CID 118696919
CID 118696919
CID 118696922
CID 118696922
CID 77079947
CID 77079947
CID 67172274
CID 67172274
CID 118696854
CID 118696854
CID 118696859
CID 118696859
CID 118696969
CID 118696969

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide (CID 118946439) is N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide is O=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1ncc(C2CC2)[nH]1.
What is the InChIKey of N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide?
The InChIKey is FAONROFAUHXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29).
What are the key properties of N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide?
N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-5-cyclopropyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 118946439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).