[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid

C16H15N5O3S — CID 71133855

IUPAC[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
SMILESNc1cn(-c2ccsc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C16H15N5O3S/c17-13-8-21(12-5-6-25-9-12)20-14(13)19-15(22)11-3-1-10(2-4-11)7-18-16(23)24/h1-6,8-9,18H,7,17H2,(H,23,24)(H,19,20,22)
InChIKeyOHOZDIBAZMFPAW-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.54
Rot. Bonds5

About [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid

[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid (PubChem CID 71133855) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
PubChem CID71133855
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
SMILESNc1cn(-c2ccsc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C16H15N5O3S/c17-13-8-21(12-5-6-25-9-12)20-14(13)19-15(22)11-3-1-10(2-4-11)7-18-16(23)24/h1-6,8-9,18H,7,17H2,(H,23,24)(H,19,20,22)
InChIKeyOHOZDIBAZMFPAW-UHFFFAOYSA-N
XLogP2.54
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
pyridin-3-ylmethyl N-[[4-[[4-amino-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 16738904
[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 91202922
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163694

Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid?
The IUPAC name of [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid (CID 71133855) is [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid is Nc1cn(-c2ccsc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1.
What is the InChIKey of [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid?
The InChIKey is OHOZDIBAZMFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c17-13-8-21(12-5-6-25-9-12)20-14(13)19-15(22)11-3-1-10(2-4-11)7-18-16(23)24/h1-6,8-9,18H,7,17H2,(H,23,24)(H,19,20,22).
What are the key properties of [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid?
[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid has a molecular weight of 357.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 71133855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).