benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate

C17H21N5O3 — CID 45489946

IUPACbenzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESNC(=O)c1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1N
InChIInChI=1S/C17H21N5O3/c18-15-14(16(19)23)10-20-22(15)13-6-8-21(9-7-13)17(24)25-11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,18H2,(H2,19,23)
InChIKeyUNIZPDAOXNJIBQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.54
Rot. Bonds4

About benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate

benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 45489946) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID45489946
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namebenzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESNC(=O)c1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1N
InChIInChI=1S/C17H21N5O3/c18-15-14(16(19)23)10-20-22(15)13-6-8-21(9-7-13)17(24)25-11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,18H2,(H2,19,23)
InChIKeyUNIZPDAOXNJIBQ-UHFFFAOYSA-N
XLogP1.54
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
benzyl 4-(4-acetyloxy-5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
CID 174547453
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
1-phenylmethoxycarbonylpiperidine-4-sulfinate
CID 68893501

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate (CID 45489946) is benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate is NC(=O)c1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1N.
What is the InChIKey of benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is UNIZPDAOXNJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-15-14(16(19)23)10-20-22(15)13-6-8-21(9-7-13)17(24)25-11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,18H2,(H2,19,23).
What are the key properties of benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 45489946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).